[gmx-users] gromacs Query

[Aman Deep]

sir, i am using this output control but still, it is generating same space
data


; Run parameters
integrator = md            ; leap-frog integrator
nsteps          = 25000000 ; 2 * 500000 = 50000 ps (50 ns)
dt                  = 0.002             ; 2 fs

; Output control
nstxout         = 0             ; save coordinates every 10.0 ps
nstxtcout               =2500000                ; save velocities every
50.0 ps
nstenergy               = 2500000               ; save energies every 50.0
ps
nstlog                  = 2500000 ; update log file every 50.0 ps
nstxout-compressed = 2500000      ; save compressed coordinates every 10.0
ps                                ; nstxout-compressed replaces nstxtcout
xtc-grps                = Protein     ; replaces xtc-grps


On Mon, Apr 3, 2017 at 3:15 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> If you ask for .trr output, you get it. Stop using non-zero nst*out mdp
> settings that you don't want.
>
> Mark
>
> On Mon, Apr 3, 2017 at 11:31 AM Aman Deep <r.amandeep2677 at gmail.com>
> wrote:
>
> > sir,
> >
> > I have tried *nstxctout  *but it still making trr file ... is there any
> > option to  make only xtc file ???
> >
> > On Mon, Apr 3, 2017 at 1:14 PM, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > See
> > >
> > http://www.gromacs.org/Documentation/How-tos/
> Reducing_Trajectory_Storage_
> > > Volume
> > >
> > > Mark
> > >
> > > On Mon, Apr 3, 2017 at 9:27 AM Aman Deep <r.amandeep2677 at gmail.com>
> > wrote:
> > >
> > > > sir is there any way to create only XTC file from mdrun only. the
> > server
> > > on
> > > > which I am working is not providing enough space and my trr file is
> too
> > > > much large.
> > > >
> > > > thank you
> > > >
> > > > --
> > > > Aman Deep
> > > > MSc Bioinformatics
> > > > Jamia Millia Islamia
> > > > New Delhi - 110025
> > > > --
> > > > Gromacs Users mailing list
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> > --
> > Aman Deep
> > MSc Bioinformatics
> > Jamia Millia Islamia
> > New Delhi - 110025
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-- 
Aman Deep
MSc Bioinformatics
Jamia Millia Islamia
New Delhi - 110025